L-aspartic acid diisopropyl ester | 76386-02-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: L-aspartic acid diisopropyl ester
• 英文别名: diisopropyl L-aspartate；dipropan-2-yl (2S)-2-aminobutanedioate
• CAS: 76386-02-2
• 化学式: C₁₀H₁₉NO₄
• 分子量: 217.265
• InChiKey: CDGUKEIXKGHSIS-QMMMGPOBSA-N

物化性质

• 沸点：
  282.8±25.0 °C(Predicted)
• 密度：
  1.057±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  L-aspartic acid diisopropyl ester 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 10.0h， 生成 N-(methyl 2,3-di-O-benzyl-6-deoxy-4-O-methyl-α-D-glucopyranoside-6-ylaminocarbonyl)-L-aspartic acid diisopropyl ester
  参考文献：
  名称：

  Synthesis of novel amino acid glycoside conjugates

  摘要：

  A new class of non-anomeric amino acid glycoconjugates can be prepared starting from either omega-amino- or omega-halodeoxyglucosides. Treatment of an ether-protected methyl 7-amino-6,7-dideoxy-alpha-D-glucoheptopyranoside with methyl aspartate isocyanate gave an urea-linked conjugate of methyl glucoheptopyranoside and aspartic acid. Nucleophilic displacement of the ether-protected methyl 6-chloro-6-deoxy-alpha-D-glucopyranoside with potassium succinimide followed by imide ring opening and amidation of the succinic acid monoamide with dimethyl iminodiacetate led to a conjugate of methyl 6-amino-6-deoxy-alpha-D-glucopyranoside and iminodiacetate bridged by succinate. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0008-6215(97)00091-8
• 作为产物：
  描述：

  L-天门冬氨酸 、 异丙醇 在 乙酰氯 作用下， 反应 1.0h， 生成 L-aspartic acid diisopropyl ester
  参考文献：
  名称：

  Stable carbon isotope analysis of amino acid enantiomers by conventional isotope ratio mass spectrometry and combined gas chromatography/isotope ratio mass spectrometry

  摘要：

  The application of a combined gas chromatography/isotope ratio mass spectrometry (GC/IRMS) method for stable carbon isotope analysis of amino acid enantiomers is presented. This method eliminates the numerous preparative steps integral to the isolation of amino acids and amino acid enantiomers from protein hydrolyzates that precede delta-C-13 analysis by conventional isotope ratio mass spectrometry. Unlike hydrocarbons, amino acids require derivatization prior to GC/IRMS analysis. Replicate delta-C-13 analyses of trifluoroacetyl (TFA) isopropyl ester derivatives of 22 amino acids by IRMS revealed that the derivatization process is reproducible, with an average error (1 standard deviation) of 0.10% +/- 0.09%. The average analytical error for analysis of amino acid derivatives by GC/IRMS was 0.26% +/- 0.09%. In general, absolute differences between IRMS and GC/IRMS analyses were less than 0.5%. The derivatization process introduces a distinct, reproducible isotopic fractionation that is constant for each amino acid type. The observed fractionations preclude direct calculation of underivatized amino acid delta-C-13 values from their respective TFA isopropyl ester delta-C-13 compositions through mass balance relationships. Derivatization of amino acid standards of known stable carbon isotope compositions in conjunction with natural samples, however, permits computation of the original, underivatized amino acid delta-C-13 values through use of an empirical correction for the carbon introduced during the derivatization process.

  DOI：

  10.1021/ac00004a014

文献信息

• CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF
  申请人：Fujifilm Corporation

  公开号：US20210155644A1

  公开（公告）日：2021-05-27

  An object of the present invention is to provide a compound exhibiting an excellent drug efficacy as an anti-adenoviral agent, and an anti-adenoviral agent. The present invention provides an anti-adenoviral agent including a compound represented by General Formula [1] (in the formula, R 1 represents a hydrogen atom, a halogen atom, an amino group which may be substituted, a monocyclic nitrogen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a monocyclic nitrogen- and oxygen-containing heterocyclic ring group which may be substituted (provided that a nitrogen atom forming the ring is bonded to a carbon atom to which R 1 is bonded), a C 1-6 alkoxy group which may be substituted, a hydroxyl group which may be protected, or the like; R 2 represents a hydrogen atom or an amino protecting group; R 3 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; R 4 represents a C 1-20 alkoxy group which may be substituted, an aryloxy group which may be substituted, an amino group which may be substituted, or the like; and X represents an oxygen atom or a sulfur atom) or a salt thereof.

  本发明的一个目的是提供一种作为抗腺病毒药剂具有优异药效的化合物，以及一种抗腺病毒药剂。本发明提供了一种包括由通式[1]表示的化合物的抗腺病毒药剂 （在公式中，R 1 表示氢原子、卤素原子、可能被取代的氨基、可能被取代的单环氮含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的单环氮和氧含杂环基团（前提是形成环的氮原子与R 1 结合的碳原子相结合）、可能被取代的C 1-6 烷氧基、可能被保护的羟基等；R 2 表示氢原子或氨基保护基团；R 3 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；R 4 表示可能被取代的C 1-20 烷氧基、可能被取代的芳氧基、可能被取代的氨基等；X表示氧原子或硫原子）或其盐。
• Bioavailability and improved delivery of acidic pharmaceutical drugs
  申请人：——

  公开号：US20040220264A1

  公开（公告）日：2004-11-04

  Embodiments of the invention relate to a composition, a process of making the composition, and to the use of the composition. The compositions include a molecular complex formed between an acidic pharmaceutical drug and at least one functional substance. The compositions provide improved bioavailability and improved delivery of the drug into the cutaneous tissues.

  本发明的实施方案涉及一种组合物、制作该组合物的工艺以及该组合物的用途。 组合物包括酸性药物和至少一种功能物质之间形成的分子复合物。 该组合物提高了药物的生物利用度，并改善了药物向皮肤组织的输送。
• Goodson, John J.; Wharton, Clifford J.; Wrigglesworth, Roger, Journal of the Chemical Society. Perkin transactions I, 1980, p. 2721 - 2727
  作者：Goodson, John J.、Wharton, Clifford J.、Wrigglesworth, Roger

  DOI：——

  日期：——
• IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS
  申请人：Yu, Ruey J., Dr.

  公开号：EP1603549A2

  公开（公告）日：2005-12-14
• [EN] IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS<br/>[FR] BIODISPONIBILITE AMELIOREE ET ADMINISTRATION AMELIOREE DE MEDICAMENTS ACIDES PHARMACEUTIQUES
  申请人：YU RUEY J

  公开号：WO2004082628A2

  公开（公告）日：2004-09-30

  Embodiments of the invention relate to a composition, a process of making the composition, and to the use of the composition. The compositions include a molecular complex formed between an acidic pharmaceutical drug and at least one functional substance. The compositions provide improved bioavailability and improved delivery of the drug into the cutaneous tissues.